Input and runtime details for job 3512591 (precomputed example)

PDB data

	ID of PDB to download and fit		1DXS
	Atom to Fit		CoM
	Alternative Atom Identifier		not provided
	Chain identifier		A
	Model identifier		1
Lattice Model

	Lattice Protein Type		yes
	Lattice Type		3D cubic
	CA-CA bond length		3.8
Method

	Optimization Mode		distance RMSD
	Max to keep per iteration		100
Job ID 3512591 (server version 4.2.1)

	Job Submitted & Queued		@ Mon Jun 13 17:15:46 CEST 2016
	LatFit Started		@ Mon Jun 13 17:15:55 CEST 2016
	LatFit Finished & Post-Processing		@ Mon Jun 13 17:15:56 CEST 2016
	Job Completed		@ Mon Jun 13 17:15:57 CEST 2016
DIRECT ACCESS: http://cpsp.informatik.uni-freiburg.de/RetrieveResults.jsp?jobID=3512591&toolName=LatFit ( 30 days expiry )
Description of the job

sidechain example
Exemplifies the fitting of a lattice protein including sidechain representation within the cubic lattice.
Output download complete results [zip]

The lattice protein model was fitted to the original data with a
cRMSD = 2.7997 Angstroms
dRMSD = 2.2231 Angstroms
In the following PDB output file of LatFit is visualized, which contains both the original data fitted (chain P in gray) as well as the lattice protein model (chain L in blue). The original PDB file is shown below.
This visualization is created with glmol.
PDB representation of the shown structures

HEADER    LATTICE PROTEIN STRUCTURE               13-JUN-:6   1DXS              
TITLE     FIT OF THE PDB STRUCTURE 1DXS ONTO A LATTICE                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: LATTICE PROTEIN;                                           
COMPND   3 CHAIN: L, P;                                                         
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1                                                             
KEYWDS    LATTICE FITTING                                                       
EXPDTA    THEORETICAL MODEL                                                     
AUTHOR    LATFIT SOFTWARE                                                       
REMARK  40                                                                      
REMARK  40 GENERATED WITH LATFIT (C) MARTIN MANN 2008                           
REMARK  40  LATTICE = cub                                                       
REMARK  40  PDB ID  = 1DXS                                                      
REMARK  40  CRMSD   =   2.7997                                                  
REMARK  40  DRMSD   =   2.2231                                                  
REMARK  40  SIDE CHAIN MODEL                                                    
REMARK  40  SIDE CHAIN LATTICE = cub                                            
REMARK 220                                                                      
REMARK 220 EXPERIMENTAL DETAILS                                                 
REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING                              
REMARK 220                                                                      
REMARK 220 PARAMETER SET APPLIED TO LATFIT :                                    
REMARK 220                                                                      
REMARK 220  pdb-file=input.pdb                                                  
REMARK 220  pdb-chain=A                                                         
REMARK 220  pdb-chain-gaps=true                                                 
REMARK 220  pdb-atom=CoM                                                        
REMARK 220  pdb-model=1                                                         
REMARK 220  lattice=cub                                                         
REMARK 220  bond-len=3.8                                                        
REMARK 220  nKeep=100                                                           
REMARK 220  optimizing=dRMSD                                                    
REMARK 220  side-chain=true                                                     
REMARK 220  sc-lattice=cub                                                      
REMARK 220  sc-contrib=1                                                        
REMARK 220  fit-dir-vec=false                                                   
REMARK 220  dirVecLength=3.8                                                    
REMARK 220  outOrigData=true                                                    
REMARK 220  outMode=PDB                                                         
REMARK 220                                                                      
REMARK 220 REMARK: THE LATTICE STRUCTURE WAS FITTED USING A GREEDY METHOD       
REMARK 225                                                                      
REMARK 225 THEORETICAL MODEL                                                    
REMARK 225 THE COORDINATES IN THIS ENTRY REPRESENT A LATTICE MODEL STRUCTURE.   
REMARK 225                                                                      
REMARK 225 THE LATTICE PROTEIN STRUCTURE IS GIVEN AS CHAIN L.                   
REMARK 225 THE BACKBONE IS REPRESENTED BY A CA-ATOMS AS A 'C'-elements.         
REMARK 225 THE SIDE CHAIN IS REPRESENTED BY A CB-ATOMS AS A 'Cl'-elements.      
REMARK 225                                                                      
REMARK 225 THE INITIAL PROTEIN POSITIONS THAT WERE FITTED ARE GIVEN AS CHAIN P. 
REMARK 225                                                                      
SEQRES   1 L   57  SER LEU VAL SER PHE LEU THR GLY LEU GLY CYS PRO ASN
SEQRES   2 L   57  CYS ILE GLU TYR PHE THR SER GLN GLY LEU GLN SER ILE
SEQRES   3 L   57  TYR HIS LEU GLN ASN LEU THR ILE GLU ASP LEU GLY ALA
SEQRES   4 L   57  LEU LYS ILE PRO GLU GLN TYR ARG MET THR ILE TRP ARG
SEQRES   5 L   57  GLY LEU GLN ASP LEU
SEQRES   1 P   57  SER LEU VAL SER PHE LEU THR GLY LEU GLY CYS PRO ASN
SEQRES   2 P   57  CYS ILE GLU TYR PHE THR SER GLN GLY LEU GLN SER ILE
SEQRES   3 P   57  TYR HIS LEU GLN ASN LEU THR ILE GLU ASP LEU GLY ALA
SEQRES   4 P   57  LEU LYS ILE PRO GLU GLN TYR ARG MET THR ILE TRP ARG
SEQRES   5 P   57  GLY LEU GLN ASP LEU
HETATM    1  CA  SER L   6      26.066  14.402  34.526  1.00  0.00           C  
HETATM    2  CB  SER L   6      27.987  16.576  36.980  1.00  0.00          Cl  
HETATM    3  CA  LEU L   7      25.466  17.431  32.312  1.00  0.00           C  
HETATM    4  CB  LEU L   7      23.545  15.257  29.858  1.00  0.00          Cl  
HETATM    5  CA  VAL L   8      22.243  18.163  34.187  1.00  0.00           C  
HETATM    6  CB  VAL L   8      22.843  15.133  36.401  1.00  0.00          Cl  
HETATM    7  CA  SER L   9      24.164  20.337  36.642  1.00  0.00           C  
HETATM    8  CB  SER L   9      27.387  19.605  34.766  1.00  0.00          Cl  
HETATM    9  CA  PHE L  10      23.563  23.366  34.428  1.00  0.00           C  
HETATM   10  CB  PHE L  10      26.787  22.635  32.553  1.00  0.00          Cl  
HETATM   11  CA  LEU L  11      21.642  21.192  31.974  1.00  0.00           C  
HETATM   12  CB  LEU L  11      19.721  19.018  29.519  1.00  0.00          Cl  
HETATM   13  CA  THR L  12      18.419  21.924  33.849  1.00  0.00           C  
HETATM   14  CB  THR L  12      19.020  18.894  36.062  1.00  0.00          Cl  
HETATM   15  CA  GLY L  13      20.340  24.097  36.303  1.00  0.00           C  
HETATM   16  CB  GLY L  13      20.941  21.068  38.517  1.00  0.00          Cl  
HETATM   17  CA  LEU L  14      19.740  27.127  34.089  1.00  0.00           C  
HETATM   18  CB  LEU L  14      22.963  26.396  32.214  1.00  0.00          Cl  
HETATM   19  CA  GLY L  15      17.819  24.953  31.635  1.00  0.00           C  
HETATM   20  CB  GLY L  15      14.595  25.684  33.510  1.00  0.00          Cl  
HETATM   21  CA  CYS L  16      15.898  22.779  29.181  1.00  0.00           C  
HETATM   22  CB  CYS L  16      19.121  22.048  27.306  1.00  0.00          Cl  
HETATM   23  CA  PRO L  17      16.498  19.750  31.394  1.00  0.00           C  
HETATM   24  CB  PRO L  17      13.275  20.481  33.270  1.00  0.00          Cl  
HETATM   25  CA  ASN L  18      14.577  17.576  28.940  1.00  0.00           C  
HETATM   26  CB  ASN L  18      13.977  20.605  26.726  1.00  0.00          Cl  
HETATM   27  CA  CYS L  19      17.800  16.844  27.065  1.00  0.00           C  
HETATM   28  CB  CYS L  19      17.200  19.874  24.851  1.00  0.00          Cl  
HETATM   29  CA  ILE L  20      18.401  13.815  29.279  1.00  0.00           C  
HETATM   30  CB  ILE L  20      20.322  15.989  31.733  1.00  0.00          Cl  
HETATM   31  CA  GLU L  21      16.480  11.641  26.824  1.00  0.00           C  
HETATM   32  CB  GLU L  21      13.257  12.372  28.699  1.00  0.00          Cl  
HETATM   33  CA  TYR L  22      15.879  14.670  24.611  1.00  0.00           C  
HETATM   34  CB  TYR L  22      15.279  17.700  22.397  1.00  0.00          Cl  
HETATM   35  CA  PHE L  23      19.103  13.939  22.736  1.00  0.00           C  
HETATM   36  CB  PHE L  23      21.024  16.113  25.190  1.00  0.00          Cl  
HETATM   37  CA  THR L  24      19.703  10.909  24.949  1.00  0.00           C  
HETATM   38  CB  THR L  24      21.624  13.083  27.404  1.00  0.00          Cl  
HETATM   39  CA  SER L  25      17.782   8.735  22.495  1.00  0.00           C  
HETATM   40  CB  SER L  25      17.182  11.765  20.281  1.00  0.00          Cl  
HETATM   41  CA  GLN L  26      21.005   8.004  20.620  1.00  0.00           C  
HETATM   42  CB  GLN L  26      20.405  11.034  18.406  1.00  0.00          Cl  
HETATM   43  CA  GLY L  27      22.926  10.178  23.074  1.00  0.00           C  
HETATM   44  CB  GLY L  27      23.527   7.148  25.288  1.00  0.00          Cl  
HETATM   45  CA  LEU L  28      24.847  12.352  25.528  1.00  0.00           C  
HETATM   46  CB  LEU L  28      28.070  11.621  23.653  1.00  0.00          Cl  
HETATM   47  CA  GLN L  29      26.768  14.526  27.983  1.00  0.00           C  
HETATM   48  CB  GLN L  29      27.369  11.496  30.196  1.00  0.00          Cl  
HETATM   49  CA  SER L  30      29.991  13.795  26.108  1.00  0.00           C  
HETATM   50  CB  SER L  30      30.592  10.765  28.321  1.00  0.00          Cl  
HETATM   51  CA  ILE L  31      31.912  15.969  28.562  1.00  0.00           C  
HETATM   52  CB  ILE L  31      28.689  16.700  30.437  1.00  0.00          Cl  
HETATM   53  CA  TYR L  32      35.136  15.237  26.687  1.00  0.00           C  
HETATM   54  CB  TYR L  32      35.736  12.208  28.900  1.00  0.00          Cl  
HETATM   55  CA  HIS L  33      33.215  13.063  24.232  1.00  0.00           C  
HETATM   56  CB  HIS L  33      31.294  10.890  21.778  1.00  0.00          Cl  
HETATM   57  CA  LEU L  34      32.614  16.093  22.019  1.00  0.00           C  
HETATM   58  CB  LEU L  34      29.391  16.824  23.894  1.00  0.00          Cl  
HETATM   59  CA  GLN L  35      32.014  19.123  19.805  1.00  0.00           C  
HETATM   60  CB  GLN L  35      33.935  21.297  22.259  1.00  0.00          Cl  
HETATM   61  CA  ASN L  36      30.093  16.949  17.351  1.00  0.00           C  
HETATM   62  CB  ASN L  36      30.693  13.919  19.565  1.00  0.00          Cl  
HETATM   63  CA  LEU L  37      26.870  17.680  19.226  1.00  0.00           C  
HETATM   64  CB  LEU L  37      28.791  19.854  21.680  1.00  0.00          Cl  
HETATM   65  CA  THR L  38      26.269  20.710  17.012  1.00  0.00           C  
HETATM   66  CB  THR L  38      29.492  19.979  15.137  1.00  0.00          Cl  
HETATM   67  CA  ILE L  39      25.669  23.740  14.799  1.00  0.00           C  
HETATM   68  CB  ILE L  39      27.590  25.914  17.253  1.00  0.00          Cl  
HETATM   69  CA  GLU L  40      23.748  21.566  12.344  1.00  0.00           C  
HETATM   70  CB  GLU L  40      21.827  19.392   9.890  1.00  0.00          Cl  
HETATM   71  CA  ASP L  41      24.348  18.536  14.558  1.00  0.00           C  
HETATM   72  CB  ASP L  41      24.949  15.506  16.772  1.00  0.00          Cl  
HETATM   73  CA  LEU L  42      21.125  19.267  16.433  1.00  0.00           C  
HETATM   74  CB  LEU L  42      23.046  21.441  18.887  1.00  0.00          Cl  
HETATM   75  CA  GLY L  43      17.902  19.999  18.308  1.00  0.00           C  
HETATM   76  CB  GLY L  43      17.301  23.028  16.095  1.00  0.00          Cl  
HETATM   77  CA  ALA L  44      15.981  17.825  15.854  1.00  0.00           C  
HETATM   78  CB  ALA L  44      19.204  17.093  13.979  1.00  0.00          Cl  
HETATM   79  CA  LEU L  45      16.581  14.795  18.068  1.00  0.00           C  
HETATM   80  CB  LEU L  45      18.502  16.969  20.522  1.00  0.00          Cl  
HETATM   81  CA  LYS L  46      13.358  15.526  19.943  1.00  0.00           C  
HETATM   82  CB  LYS L  46      11.437  13.352  17.488  1.00  0.00          Cl  
HETATM   83  CA  ILE L  47      12.757  18.556  17.729  1.00  0.00           C  
HETATM   84  CB  ILE L  47      14.678  20.730  20.183  1.00  0.00          Cl  
HETATM   85  CA  PRO L  48       9.534  19.287  19.604  1.00  0.00           C  
HETATM   86  CB  PRO L  48      10.135  16.257  21.818  1.00  0.00          Cl  
HETATM   87  CA  GLU L  49      11.455  21.461  22.058  1.00  0.00           C  
HETATM   88  CB  GLU L  49      10.855  24.491  19.845  1.00  0.00          Cl  
HETATM   89  CA  GLN L  50      13.376  23.635  24.513  1.00  0.00           C  
HETATM   90  CB  GLN L  50      12.776  26.665  22.299  1.00  0.00          Cl  
HETATM   91  CA  TYR L  51      16.599  22.904  22.638  1.00  0.00           C  
HETATM   92  CB  TYR L  51      18.520  25.078  25.092  1.00  0.00          Cl  
HETATM   93  CA  ARG L  52      15.999  25.933  20.424  1.00  0.00           C  
HETATM   94  CB  ARG L  52      14.078  23.759  17.970  1.00  0.00          Cl  
HETATM   95  CA  MET L  53      19.222  25.202  18.549  1.00  0.00           C  
HETATM   96  CB  MET L  53      18.622  28.232  16.335  1.00  0.00          Cl  
HETATM   97  CA  THR L  54      21.143  27.376  21.003  1.00  0.00           C  
HETATM   98  CB  THR L  54      17.920  28.107  22.878  1.00  0.00          Cl  
HETATM   99  CA  ILE L  55      21.744  24.346  23.217  1.00  0.00           C  
HETATM  100  CB  ILE L  55      22.344  21.317  25.430  1.00  0.00          Cl  
HETATM  101  CA  TRP L  56      24.967  23.615  21.342  1.00  0.00           C  
HETATM  102  CB  TRP L  56      24.366  26.645  19.128  1.00  0.00          Cl  
HETATM  103  CA  ARG L  57      26.888  25.789  23.796  1.00  0.00           C  
HETATM  104  CB  ARG L  57      26.287  28.819  21.582  1.00  0.00          Cl  
HETATM  105  CA  GLY L  58      27.488  22.759  26.010  1.00  0.00           C  
HETATM  106  CB  GLY L  58      29.409  24.933  28.464  1.00  0.00          Cl  
HETATM  107  CA  LEU L  59      30.712  22.028  24.135  1.00  0.00           C  
HETATM  108  CB  LEU L  59      31.312  18.998  26.348  1.00  0.00          Cl  
HETATM  109  CA  GLN L  60      30.111  25.058  21.921  1.00  0.00           C  
HETATM  110  CB  GLN L  60      29.511  28.088  19.707  1.00  0.00          Cl  
HETATM  111  CA  ASP L  61      32.032  27.232  24.375  1.00  0.00           C  
HETATM  112  CB  ASP L  61      28.809  27.963  26.250  1.00  0.00          Cl  
HETATM  113  CA  LEU L  62      32.633  24.202  26.589  1.00  0.00           C  
HETATM  114  CB  LEU L  62      33.233  21.172  28.803  1.00  0.00          Cl  
HETATM  115  CA  SER P   6      27.815  16.739  34.595  1.00  0.00           C  
HETATM  116  CB  SER P   6      29.214  16.777  33.987  1.00  0.00          Cl  
HETATM  117  CA  LEU P   7      25.449  16.151  31.669  1.00  0.00           C  
HETATM  118  CB  LEU P   7      24.486  14.774  29.701  1.00  0.00          Cl  
HETATM  119  CA  VAL P   8      22.495  16.030  34.030  1.00  0.00           C  
HETATM  120  CB  VAL P   8      21.779  14.694  35.259  1.00  0.00          Cl  
HETATM  121  CA  SER P   9      23.685  19.112  35.903  1.00  0.00           C  
HETATM  122  CB  SER P   9      25.547  19.145  36.290  1.00  0.00          Cl  
HETATM  123  CA  PHE P  10      24.525  20.878  32.657  1.00  0.00           C  
HETATM  124  CB  PHE P  10      25.526  21.798  29.543  1.00  0.00          Cl  
HETATM  125  CA  LEU P  11      21.050  20.724  31.095  1.00  0.00           C  
HETATM  126  CB  LEU P  11      20.904  18.951  29.270  1.00  0.00          Cl  
HETATM  127  CA  THR P  12      19.518  21.505  34.493  1.00  0.00           C  
HETATM  128  CB  THR P  12      19.877  20.113  35.803  1.00  0.00          Cl  
HETATM  129  CA  GLY P  13      21.700  24.524  35.295  1.00  0.00           C  
HETATM  130  CB  GLY P  13      21.700  24.524  35.295  1.00  0.00          Cl  
HETATM  131  CA  LEU P  14      20.772  25.716  31.811  1.00  0.00           C  
HETATM  132  CB  LEU P  14      22.165  25.300  29.542  1.00  0.00          Cl  
HETATM  133  CA  GLY P  15      17.099  25.233  32.599  1.00  0.00           C  
HETATM  134  CB  GLY P  15      17.099  25.233  32.599  1.00  0.00          Cl  
HETATM  135  CA  CYS P  16      16.294  22.315  30.254  1.00  0.00           C  
HETATM  136  CB  CYS P  16      17.518  22.933  28.707  1.00  0.00          Cl  
HETATM  137  CA  PRO P  17      16.406  18.950  32.131  1.00  0.00           C  
HETATM  138  CB  PRO P  17      16.001  20.170  33.491  1.00  0.00          Cl  
HETATM  139  CA  ASN P  18      13.624  17.972  29.757  1.00  0.00           C  
HETATM  140  CB  ASN P  18      12.741  20.154  28.904  1.00  0.00          Cl  
HETATM  141  CA  CYS P  19      16.263  17.919  27.043  1.00  0.00           C  
HETATM  142  CB  CYS P  19      16.598  19.825  26.308  1.00  0.00          Cl  
HETATM  143  CA  ILE P  20      18.207  15.251  28.898  1.00  0.00           C  
HETATM  144  CB  ILE P  20      18.683  15.087  31.253  1.00  0.00          Cl  
HETATM  145  CA  GLU P  21      16.281  12.370  27.389  1.00  0.00           C  
HETATM  146  CB  GLU P  21      13.524  10.698  27.672  1.00  0.00          Cl  
HETATM  147  CA  TYR P  22      17.184  13.479  23.872  1.00  0.00           C  
HETATM  148  CB  TYR P  22      14.489  16.036  23.526  1.00  0.00          Cl  
HETATM  149  CA  PHE P  23      20.838  12.723  24.490  1.00  0.00           C  
HETATM  150  CB  PHE P  23      21.605  16.003  24.411  1.00  0.00          Cl  
HETATM  151  CA  THR P  24      20.669   9.744  26.849  1.00  0.00           C  
HETATM  152  CB  THR P  24      19.958  10.172  28.603  1.00  0.00          Cl  
HETATM  153  CA  SER P  25      18.198   8.252  24.411  1.00  0.00           C  
HETATM  154  CB  SER P  25      16.522   8.513  23.580  1.00  0.00          Cl  
HETATM  155  CA  GLN P  26      21.031   7.999  21.873  1.00  0.00           C  
HETATM  156  CB  GLN P  26      19.977   8.672  19.570  1.00  0.00          Cl  
HETATM  157  CA  GLY P  27      23.646   6.837  24.349  1.00  0.00           C  
HETATM  158  CB  GLY P  27      23.646   6.837  24.349  1.00  0.00          Cl  
HETATM  159  CA  LEU P  28      25.074  10.322  24.785  1.00  0.00           C  
HETATM  160  CB  LEU P  28      24.750  11.622  22.546  1.00  0.00          Cl  
HETATM  161  CA  GLN P  29      26.149  10.829  28.394  1.00  0.00           C  
HETATM  162  CB  GLN P  29      25.340   9.733  30.930  1.00  0.00          Cl  
HETATM  163  CA  SER P  30      29.553  12.515  28.091  1.00  0.00           C  
HETATM  164  CB  SER P  30      31.295  12.226  27.377  1.00  0.00          Cl  
HETATM  165  CA  ILE P  31      30.313  16.216  27.872  1.00  0.00           C  
HETATM  166  CB  ILE P  31      29.981  17.628  29.294  1.00  0.00          Cl  
HETATM  167  CA  TYR P  32      33.274  15.714  25.516  1.00  0.00           C  
HETATM  168  CB  TYR P  32      36.526  14.922  27.372  1.00  0.00          Cl  
HETATM  169  CA  HIS P  33      31.297  14.080  22.740  1.00  0.00           C  
HETATM  170  CB  HIS P  33      30.636  12.722  22.898  1.00  0.00          Cl  
HETATM  171  CA  LEU P  34      28.508  16.559  23.372  1.00  0.00           C  
HETATM  172  CB  LEU P  34      26.481  16.697  25.017  1.00  0.00          Cl  
HETATM  173  CA  GLN P  35      30.746  19.493  22.376  1.00  0.00           C  
HETATM  174  CB  GLN P  35      31.971  20.006  23.739  1.00  0.00          Cl  
HETATM  175  CA  ASN P  36      31.420  18.465  18.776  1.00  0.00           C  
HETATM  176  CB  ASN P  36      32.297  16.152  18.976  1.00  0.00          Cl  
HETATM  177  CA  LEU P  37      27.728  18.296  17.873  1.00  0.00           C  
HETATM  178  CB  LEU P  37      26.178  16.583  19.206  1.00  0.00          Cl  
HETATM  179  CA  THR P  38      26.412  20.911  15.466  1.00  0.00           C  
HETATM  180  CB  THR P  38      26.711  20.375  13.628  1.00  0.00          Cl  
HETATM  181  CA  ILE P  39      23.349  23.104  15.603  1.00  0.00           C  
HETATM  182  CB  ILE P  39      23.454  25.507  15.412  1.00  0.00          Cl  
HETATM  183  CA  GLU P  40      21.962  20.816  12.891  1.00  0.00           C  
HETATM  184  CB  GLU P  40      22.426  19.679   9.763  1.00  0.00          Cl  
HETATM  185  CA  ASP P  41      22.775  17.781  15.043  1.00  0.00           C  
HETATM  186  CB  ASP P  41      25.082  16.965  14.786  1.00  0.00          Cl  
HETATM  187  CA  LEU P  42      20.708  19.197  17.907  1.00  0.00           C  
HETATM  188  CB  LEU P  42      22.011  20.660  19.515  1.00  0.00          Cl  
HETATM  189  CA  GLY P  43      17.878  19.519  15.435  1.00  0.00           C  
HETATM  190  CB  GLY P  43      17.878  19.519  15.435  1.00  0.00          Cl  
HETATM  191  CA  ALA P  44      18.266  15.929  14.253  1.00  0.00           C  
HETATM  192  CB  ALA P  44      19.521  15.317  13.594  1.00  0.00          Cl  
HETATM  193  CA  LEU P  45      18.169  14.887  17.915  1.00  0.00           C  
HETATM  194  CB  LEU P  45      20.514  14.581  19.179  1.00  0.00          Cl  
HETATM  195  CA  LYS P  46      14.587  16.226  17.887  1.00  0.00           C  
HETATM  196  CB  LYS P  46      12.674  13.272  16.670  1.00  0.00          Cl  
HETATM  197  CA  ILE P  47      15.520  18.908  20.432  1.00  0.00           C  
HETATM  198  CB  ILE P  47      17.719  19.101  21.309  1.00  0.00          Cl  
HETATM  199  CA  PRO P  48      12.998  21.767  20.860  1.00  0.00           C  
HETATM  200  CB  PRO P  48      12.649  20.769  22.386  1.00  0.00          Cl  
HETATM  201  CA  GLU P  49      13.969  24.781  18.725  1.00  0.00           C  
HETATM  202  CB  GLU P  49      14.445  26.375  16.658  1.00  0.00          Cl  
HETATM  203  CA  GLN P  50      13.726  26.718  21.977  1.00  0.00           C  
HETATM  204  CB  GLN P  50      12.654  26.982  23.527  1.00  0.00          Cl  
HETATM  205  CA  TYR P  51      16.775  25.212  23.682  1.00  0.00           C  
HETATM  206  CB  TYR P  51      13.986  24.047  25.885  1.00  0.00          Cl  
HETATM  207  CA  ARG P  52      18.951  24.564  20.680  1.00  0.00           C  
HETATM  208  CB  ARG P  52      16.402  22.943  17.152  1.00  0.00          Cl  
HETATM  209  CA  MET P  53      21.190  27.662  20.828  1.00  0.00           C  
HETATM  210  CB  MET P  53      21.535  29.025  18.752  1.00  0.00          Cl  
HETATM  211  CA  THR P  54      20.973  27.715  24.614  1.00  0.00           C  
HETATM  212  CB  THR P  54      19.523  27.661  25.884  1.00  0.00          Cl  
HETATM  213  CA  ILE P  55      22.491  24.249  24.705  1.00  0.00           C  
HETATM  214  CB  ILE P  55      21.182  22.232  24.587  1.00  0.00          Cl  
HETATM  215  CA  TRP P  56      24.712  24.818  21.666  1.00  0.00           C  
HETATM  216  CB  TRP P  56      26.530  26.353  18.587  1.00  0.00          Cl  
HETATM  217  CA  ARG P  57      26.029  28.078  23.030  1.00  0.00           C  
HETATM  218  CB  ARG P  57      27.263  31.512  23.775  1.00  0.00          Cl  
HETATM  219  CA  GLY P  58      26.551  26.409  26.415  1.00  0.00           C  
HETATM  220  CB  GLY P  58      26.551  26.409  26.415  1.00  0.00          Cl  
HETATM  221  CA  LEU P  59      28.492  23.493  24.952  1.00  0.00           C  
HETATM  222  CB  LEU P  59      27.111  21.334  24.469  1.00  0.00          Cl  
HETATM  223  CA  GLN P  60      30.710  25.937  23.062  1.00  0.00           C  
HETATM  224  CB  GLN P  60      30.290  25.967  20.650  1.00  0.00          Cl  
HETATM  225  CA  ASP P  61      31.644  27.439  26.414  1.00  0.00           C  
HETATM  226  CB  ASP P  61      29.768  28.955  26.953  1.00  0.00          Cl  
HETATM  227  CA  LEU P  62      33.052  24.014  27.261  1.00  0.00           C  
HETATM  228  CB  LEU P  62      31.761  22.663  27.655  1.00  0.00          Cl  
TER                                                                             
CONECT    1    2    3                                                           
CONECT    2    1                                                                
CONECT    3    1    4    5                                                      
CONECT    4    3                                                                
CONECT    5    3    6    7                                                      
CONECT    6    5                                                                
CONECT    7    5    8    9                                                      
CONECT    8    7                                                                
CONECT    9    7   10   11                                                      
CONECT   10    9                                                                
CONECT   11    9   12   13                                                      
CONECT   12   11                                                                
CONECT   13   11   14   15                                                      
CONECT   14   13                                                                
CONECT   15   13   16   17                                                      
CONECT   16   15                                                                
CONECT   17   15   18   19                                                      
CONECT   18   17                                                                
CONECT   19   17   20   21                                                      
CONECT   20   19                                                                
CONECT   21   19   22   23                                                      
CONECT   22   21                                                                
CONECT   23   21   24   25                                                      
CONECT   24   23                                                                
CONECT   25   23   26   27                                                      
CONECT   26   25                                                                
CONECT   27   25   28   29                                                      
CONECT   28   27                                                                
CONECT   29   27   30   31                                                      
CONECT   30   29                                                                
CONECT   31   29   32   33                                                      
CONECT   32   31                                                                
CONECT   33   31   34   35                                                      
CONECT   34   33                                                                
CONECT   35   33   36   37                                                      
CONECT   36   35                                                                
CONECT   37   35   38   39                                                      
CONECT   38   37                                                                
CONECT   39   37   40   41                                                      
CONECT   40   39                                                                
CONECT   41   39   42   43                                                      
CONECT   42   41                                                                
CONECT   43   41   44   45                                                      
CONECT   44   43                                                                
CONECT   45   43   46   47                                                      
CONECT   46   45                                                                
CONECT   47   45   48   49                                                      
CONECT   48   47                                                                
CONECT   49   47   50   51                                                      
CONECT   50   49                                                                
CONECT   51   49   52   53                                                      
CONECT   52   51                                                                
CONECT   53   51   54   55                                                      
CONECT   54   53                                                                
CONECT   55   53   56   57                                                      
CONECT   56   55                                                                
CONECT   57   55   58   59                                                      
CONECT   58   57                                                                
CONECT   59   57   60   61                                                      
CONECT   60   59                                                                
CONECT   61   59   62   63                                                      
CONECT   62   61                                                                
CONECT   63   61   64   65                                                      
CONECT   64   63                                                                
CONECT   65   63   66   67                                                      
CONECT   66   65                                                                
CONECT   67   65   68   69                                                      
CONECT   68   67                                                                
CONECT   69   67   70   71                                                      
CONECT   70   69                                                                
CONECT   71   69   72   73                                                      
CONECT   72   71                                                                
CONECT   73   71   74   75                                                      
CONECT   74   73                                                                
CONECT   75   73   76   77                                                      
CONECT   76   75                                                                
CONECT   77   75   78   79                                                      
CONECT   78   77                                                                
CONECT   79   77   80   81                                                      
CONECT   80   79                                                                
CONECT   81   79   82   83                                                      
CONECT   82   81                                                                
CONECT   83   81   84   85                                                      
CONECT   84   83                                                                
CONECT   85   83   86   87                                                      
CONECT   86   85                                                                
CONECT   87   85   88   89                                                      
CONECT   88   87                                                                
CONECT   89   87   90   91                                                      
CONECT   90   89                                                                
CONECT   91   89   92   93                                                      
CONECT   92   91                                                                
CONECT   93   91   94   95                                                      
CONECT   94   93                                                                
CONECT   95   93   96   97                                                      
CONECT   96   95                                                                
CONECT   97   95   98   99                                                      
CONECT   98   97                                                                
CONECT   99   97  100  101                                                      
CONECT  100   99                                                                
CONECT  101   99  102  103                                                      
CONECT  102  101                                                                
CONECT  103  101  104  105                                                      
CONECT  104  103                                                                
CONECT  105  103  106  107                                                      
CONECT  106  105                                                                
CONECT  107  105  108  109                                                      
CONECT  108  107                                                                
CONECT  109  107  110  111                                                      
CONECT  110  109                                                                
CONECT  111  109  112  113                                                      
CONECT  112  111                                                                
CONECT  113  111  114                                                           
CONECT  114  113                                                                
CONECT  115  116  117                                                           
CONECT  116  115                                                                
CONECT  117  115  118  119                                                      
CONECT  118  117                                                                
CONECT  119  117  120  121                                                      
CONECT  120  119                                                                
CONECT  121  119  122  123                                                      
CONECT  122  121                                                                
CONECT  123  121  124  125                                                      
CONECT  124  123                                                                
CONECT  125  123  126  127                                                      
CONECT  126  125                                                                
CONECT  127  125  128  129                                                      
CONECT  128  127                                                                
CONECT  129  127  130  131                                                      
CONECT  130  129                                                                
CONECT  131  129  132  133                                                      
CONECT  132  131                                                                
CONECT  133  131  134  135                                                      
CONECT  134  133                                                                
CONECT  135  133  136  137                                                      
CONECT  136  135                                                                
CONECT  137  135  138  139                                                      
CONECT  138  137                                                                
CONECT  139  137  140  141                                                      
CONECT  140  139                                                                
CONECT  141  139  142  143                                                      
CONECT  142  141                                                                
CONECT  143  141  144  145                                                      
CONECT  144  143                                                                
CONECT  145  143  146  147                                                      
CONECT  146  145                                                                
CONECT  147  145  148  149                                                      
CONECT  148  147                                                                
CONECT  149  147  150  151                                                      
CONECT  150  149                                                                
CONECT  151  149  152  153                                                      
CONECT  152  151                                                                
CONECT  153  151  154  155                                                      
CONECT  154  153                                                                
CONECT  155  153  156  157                                                      
CONECT  156  155                                                                
CONECT  157  155  158  159                                                      
CONECT  158  157                                                                
CONECT  159  157  160  161                                                      
CONECT  160  159                                                                
CONECT  161  159  162  163                                                      
CONECT  162  161                                                                
CONECT  163  161  164  165                                                      
CONECT  164  163                                                                
CONECT  165  163  166  167                                                      
CONECT  166  165                                                                
CONECT  167  165  168  169                                                      
CONECT  168  167                                                                
CONECT  169  167  170  171                                                      
CONECT  170  169                                                                
CONECT  171  169  172  173                                                      
CONECT  172  171                                                                
CONECT  173  171  174  175                                                      
CONECT  174  173                                                                
CONECT  175  173  176  177                                                      
CONECT  176  175                                                                
CONECT  177  175  178  179                                                      
CONECT  178  177                                                                
CONECT  179  177  180  181                                                      
CONECT  180  179                                                                
CONECT  181  179  182  183                                                      
CONECT  182  181                                                                
CONECT  183  181  184  185                                                      
CONECT  184  183                                                                
CONECT  185  183  186  187                                                      
CONECT  186  185                                                                
CONECT  187  185  188  189                                                      
CONECT  188  187                                                                
CONECT  189  187  190  191                                                      
CONECT  190  189                                                                
CONECT  191  189  192  193                                                      
CONECT  192  191                                                                
CONECT  193  191  194  195                                                      
CONECT  194  193                                                                
CONECT  195  193  196  197                                                      
CONECT  196  195                                                                
CONECT  197  195  198  199                                                      
CONECT  198  197                                                                
CONECT  199  197  200  201                                                      
CONECT  200  199                                                                
CONECT  201  199  202  203                                                      
CONECT  202  201                                                                
CONECT  203  201  204  205                                                      
CONECT  204  203                                                                
CONECT  205  203  206  207                                                      
CONECT  206  205                                                                
CONECT  207  205  208  209                                                      
CONECT  208  207                                                                
CONECT  209  207  210  211                                                      
CONECT  210  209                                                                
CONECT  211  209  212  213                                                      
CONECT  212  211                                                                
CONECT  213  211  214  215                                                      
CONECT  214  213                                                                
CONECT  215  213  216  217                                                      
CONECT  216  215                                                                
CONECT  217  215  218  219                                                      
CONECT  218  217                                                                
CONECT  219  217  220  221                                                      
CONECT  220  219                                                                
CONECT  221  219  222  223                                                      
CONECT  222  221                                                                
CONECT  223  221  224  225                                                      
CONECT  224  223                                                                
CONECT  225  223  226  227                                                      
CONECT  226  225                                                                
CONECT  227  225  228                                                           
CONECT  228  227                                                                
END
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When using LatFit please cite :

Martin Mann, Rhodri Saunders, Cameron Smith, Rolf Backofen, Charlotte M. Deane
Producing high-accuracy lattice models from protein atomic co-ordinates including side chains
Advances in Bioinformatics, Article ID 148045, 6, 2012
Martin Mann, Cameron Smith, Mohamad Rabbath, Marlien Edwards, Sebastian Will, and Rolf Backofen
CPSP-web-tools: a server for 3D lattice protein studies
Bioinformatics, 25 (5), 676-677, 2009
Results are computed with LatFit version 1.9.0
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